(1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol

C6H10O4 — CID 50930799

IUPAC(1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol
SMILESO[C@@H]1[C@H](O)[C@H]2CO[C@@H]1CO2
InChIInChI=1S/C6H10O4/c7-5-3-1-9-4(2-10-3)6(5)8/h3-8H,1-2H2/t3-,4-,5-,6+/m1/s1
InChIKeyZVYBPIWWKLWXPA-KAZBKCHUSA-N
MW146.14 g/mol
LogP-1.49
Rot. Bonds

About (1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol

(1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol (PubChem CID 50930799) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol.

Molecular Properties

Compound Name(1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol
PubChem CID50930799
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol
SMILESO[C@@H]1[C@H](O)[C@H]2CO[C@@H]1CO2
InChIInChI=1S/C6H10O4/c7-5-3-1-9-4(2-10-3)6(5)8/h3-8H,1-2H2/t3-,4-,5-,6+/m1/s1
InChIKeyZVYBPIWWKLWXPA-KAZBKCHUSA-N
XLogP-1.49
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol?
The IUPAC name of (1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol (CID 50930799) is (1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol.
What is the SMILES notation for (1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol?
The canonical SMILES for (1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol is O[C@@H]1[C@H](O)[C@H]2CO[C@@H]1CO2.
What is the InChIKey of (1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol?
The InChIKey is ZVYBPIWWKLWXPA-KAZBKCHUSA-N. The full InChI is InChI=1S/C6H10O4/c7-5-3-1-9-4(2-10-3)6(5)8/h3-8H,1-2H2/t3-,4-,5-,6+/m1/s1.
What are the key properties of (1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol?
(1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol has a molecular weight of 146.14 g/mol, XLogP of -1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,7S,8R)-2,5-dioxabicyclo[2.2.2]octane-7,8-diol is sourced from PubChem (CID 50930799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).